Geometry & MOs

Info

ID:	55618
PubChem CID:	17395679
Reduced:	SO2N3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	333.093583
ΔH_f, kcal/mol:	40.48
Dipole, Da:	4.96
IP(EA), eV:	-9.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylpyrazol-3-yl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=CC=NN3CC4=CSC=C4

DOS

IR

Vibrations